vericiguat   Click here for help

GtoPdb Ligand ID: 10010

Synonyms: BAY-1021189 | MK-1242 | Verquvo®
Approved drug
vericiguat is an approved drug (EMA & FDA (2021))
Compound class: Synthetic organic
Comment: Vericiguat is a novel oral soluble guanylate cyclase (sGC) stimulator [4]. It was initially developed for potential to reduce mortality and morbidity associated with chronic heart failure with reduced ejection fraction.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 146.86
Molecular weight 426.14
XLogP 2.36
No. Lipinski's rules broken 0
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Canonical SMILES COC(=O)Nc1c(N)nc(nc1N)c1nn(c2c1cc(F)cn2)Cc1ccccc1F
Isomeric SMILES COC(=O)Nc1c(N)nc(nc1N)c1nn(c2c1cc(F)cn2)Cc1ccccc1F
InChI InChI=1S/C19H16F2N8O2/c1-31-19(30)25-14-15(22)26-17(27-16(14)23)13-11-6-10(20)7-24-18(11)29(28-13)8-9-4-2-3-5-12(9)21/h2-7H,8H2,1H3,(H,25,30)(H4,22,23,26,27)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (EMA & FDA (2021))
IUPAC Name Click here for help
methyl N-[4,6-diamino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate
Synonyms Click here for help
BAY-1021189 | MK-1242 | Verquvo®
Database Links Click here for help
CAS Registry No. 1350653-20-1
DrugCentral Ligand 5439
GtoPdb PubChem SID 374883897
PubChem CID 54674461
Search Google for chemical match using the InChIKey QZFHIXARHDBPBY-UHFFFAOYSA-N
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